Table 7.
Docking Parameters of APBPP.
| Protien PDB | Bonded Residues | Hydrogenbonds | Bond length (Å) | Binding enegy (Kcal/mol) | Inhibition constant(ki) |
|---|---|---|---|---|---|
| 2W2G-SARS-CoV-1 (APBPP) | LYS505 CYS39 |
2 | 1.79 2.16 |
−4.79 | 309.30 μmol |
| 2W2G-Ritonavir | GLU 52 ARG 628 |
2 | 2.53 1.84 |
−4.38 | 1.38 μmol |
| 6LU7 -Covid19 (APBPP) | GLU16 ALA2 VAL3 LEU4 |
4 | 1.98 2.59 1.84 1.96 |
−9.47 | 632.98 nmol |
| 1M17-Lung cancer (APBPP) | THR766 ALA719 LEU764 GLY772 |
4 | 2.68 2.33 2.49 2.93 |
−8.53 | 3.32 mmol |
| 1 M17-Erlotinib | LEU654 GLY678 GLY684 THR759 |
4 | 2.53 2.82 2.87 2.71 |
−7.11 | 2.67 mmol |